NbO2 a Highly Stable, Ultrafast Anode Material for Li- and Na-Ion Batteries

Abstract

Anode materials with fast charging capabilities and stability are critical for realizing next-generation Li-ion batteries (LIBs) and Na-ion batteries (SIBs). The present work employs a simple synthetic strategy to obtain NbO₂ and studies its applications as an anode for LIB and SIB. In the case of the LIB, it exhibited a specific capacity of 344 mAh g^-1 at 100 mA g^-1. It also demonstrated remarkable stability over 1000 cycles, with 92% capacity retention. Additionally, it showed a unique fast charging capability, which takes 30 s to reach a specific capacity of 83 mAh g^-1. For the SIB, NbO₂ exhibited a specific capacity of 244 mAh g^-1 at 50 mA g^-1 and showed 70% capacity retention after 500 cycles. Furthermore, detailed density functional theory reveals that various factors like bulk and surface charging processes, lower ion diffusion energy barriers, and superior electronic conductivity of NbO₂ are responsible for the observed battery performances.

Keywords: DFT; Fast-charging anode; Li-ion batteries; NbO2; Sodium-ion batteries.